3-[2-[methyl(pyridin-3-ylmethyl)amino]ethoxy]benzonitrile

C16H17N3O — CID 43563424

IUPAC3-[2-[methyl(pyridin-3-ylmethyl)amino]ethoxy]benzonitrile
SMILESCN(CCOc1cccc(C#N)c1)Cc1cccnc1
InChIInChI=1S/C16H17N3O/c1-19(13-15-5-3-7-18-12-15)8-9-20-16-6-2-4-14(10-16)11-17/h2-7,10,12H,8-9,13H2,1H3
InChIKeyYTOJICDLJIRRIJ-UHFFFAOYSA-N
MW267.33 g/mol
LogP2.46
Rot. Bonds6

About 3-[2-[methyl(pyridin-3-ylmethyl)amino]ethoxy]benzonitrile

3-[2-[methyl(pyridin-3-ylmethyl)amino]ethoxy]benzonitrile (PubChem CID 43563424) has the molecular formula C16H17N3O and a molecular weight of 267.33 g/mol. Its IUPAC name is 3-[2-[methyl(pyridin-3-ylmethyl)amino]ethoxy]benzonitrile.

Molecular Properties

Compound Name3-[2-[methyl(pyridin-3-ylmethyl)amino]ethoxy]benzonitrile
PubChem CID43563424
Molecular FormulaC16H17N3O
Molecular Weight267.33 g/mol
Exact Mass267.14
IUPAC Name3-[2-[methyl(pyridin-3-ylmethyl)amino]ethoxy]benzonitrile
SMILESCN(CCOc1cccc(C#N)c1)Cc1cccnc1
InChIInChI=1S/C16H17N3O/c1-19(13-15-5-3-7-18-12-15)8-9-20-16-6-2-4-14(10-16)11-17/h2-7,10,12H,8-9,13H2,1H3
InChIKeyYTOJICDLJIRRIJ-UHFFFAOYSA-N
XLogP2.46
TPSA49.15 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.33
LogP ≤ 52.46
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

3-[[methyl(2-phenoxyethyl)amino]methyl]benzonitrile
CID 60641547
4-[2-[methyl(pyridin-3-ylmethyl)amino]ethoxy]benzoic acid
CID 43563550
4-[2-[methyl(pyridin-3-ylmethyl)amino]ethoxy]benzenecarbothioamide
CID 43563444
3-methyl-4-[[methyl(pyridin-3-ylmethyl)amino]methyl]benzonitrile
CID 114480999
3-[2-[methyl(propan-2-yl)amino]ethoxy]benzonitrile
CID 43288705
3-[3-[methyl-[(1-methylimidazol-2-yl)methyl]amino]propoxy]benzonitrile
CID 63015009
3-[2-(diethylamino)ethoxy]benzonitrile
CID 22683313
3-[[2-(2-aminophenoxy)ethyl-methylamino]methyl]benzonitrile
CID 62971110
N-[2-(3-chlorophenoxy)ethyl]-N-methyl-2-pyridin-3-ylethanamine
CID 75421045
3-[2-[cyclopropyl(methyl)amino]ethoxy]benzonitrile
CID 43288952
N-(6-cyano-1,3-benzothiazol-2-yl)-3-(3-fluorophenoxy)-N-(pyridin-3-ylmethyl)propanamide
CID 162380065
4-cyano-N-methyl-N-(pyridin-3-ylmethyl)benzenesulfonamide
CID 3583133

Frequently Asked Questions

What is the IUPAC name of 3-[2-[methyl(pyridin-3-ylmethyl)amino]ethoxy]benzonitrile?
The IUPAC name of 3-[2-[methyl(pyridin-3-ylmethyl)amino]ethoxy]benzonitrile (CID 43563424) is 3-[2-[methyl(pyridin-3-ylmethyl)amino]ethoxy]benzonitrile.
What is the SMILES notation for 3-[2-[methyl(pyridin-3-ylmethyl)amino]ethoxy]benzonitrile?
The canonical SMILES for 3-[2-[methyl(pyridin-3-ylmethyl)amino]ethoxy]benzonitrile is CN(CCOc1cccc(C#N)c1)Cc1cccnc1.
What is the InChIKey of 3-[2-[methyl(pyridin-3-ylmethyl)amino]ethoxy]benzonitrile?
The InChIKey is YTOJICDLJIRRIJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17N3O/c1-19(13-15-5-3-7-18-12-15)8-9-20-16-6-2-4-14(10-16)11-17/h2-7,10,12H,8-9,13H2,1H3.
What are the key properties of 3-[2-[methyl(pyridin-3-ylmethyl)amino]ethoxy]benzonitrile?
3-[2-[methyl(pyridin-3-ylmethyl)amino]ethoxy]benzonitrile has a molecular weight of 267.33 g/mol, XLogP of 2.46, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-[methyl(pyridin-3-ylmethyl)amino]ethoxy]benzonitrile is sourced from PubChem (CID 43563424), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).